3-(benzyloxy)-2-(propan-2-yloxy)pyridine

• ChemBase ID: 248420
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(ncccc1OCc1ccccc1)OC(C)C
• Canonical SMILES: CC(Oc1ncccc1OCc1ccccc1)C
• InChI: InChI=1S/C15H17NO2/c1-12(2)18-15-14(9-6-10-16-15)17-11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
• InChIKey: TWGPRPBACLPVKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-2-(propan-2-yloxy)pyridine
• IUPAC Traditional name: 3-(benzyloxy)-2-isopropoxypyridine
• Synonyms: 3-(benzyloxy)-2-(propan-2-yloxy)pyridine

Database IDs

• PubChem SID: 164304330
• PubChem CID: 71758484

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5318708
• LogD (pH = 7.4): 3.532536
• Log P: 3.5325444
• Molar Refractivity: 70.921 cm^3
• Polarizability: 27.749666 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.119

Product Information

• Purity: 95%